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Nitazoxanide

CAT: 1596-AR-B03828-04Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B03828-04Size:250 Units
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CAS Number
55981-09-4
Synonyms
2- (Acetyloxy) -N- (5-nitro-2-thiazolyl) benzamide; Alinia; BRN 1225475; Cryptaz; DRG 0242; N- (5-Nitro-2-thiazolyl) salicylamide Acetate Ester; Nitacure; Nitarid; Nitazoxanida; Nixide; Nixoran; Nizonide; PH 5776
Molecular Formula
C12H9N3O5S
Molecular Weight
307.28
API Name
Nitazoxanide

Chemical Information

Nitazoxanide

Acetic acid [2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester is a member of benzamides and a carboxylic ester. It is functionally related to a salicylamide.

CAS Number55981-09-4
PubChem CID41684
IUPAC Name[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
Molecular FormulaC12H9N3O5S
Molecular Weight307.28
XLogP2
Topological Polar Surface Area142
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity428
SMILES
CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)
InChIKey
YQNQNVDNTFHQSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitazoxanide
CAS: 55981-09-4
CID: 41684
Formula: C12H9N3O5S
MW: 307.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight307.28
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass307.02629157
Monoisotopic Mass307.02629157
Topological Polar Surface Area142 Ų
Heavy Atom Count21
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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